Sugi Predict

Sugi Predict / Compounds / SCHEMBL4941445

SCHEMBL4941445

SCHEMBL4941445

CC(C)CC(=O)c1ccc(OCc2cccc(Oc3ccc4ccc(=O)oc4c3)c2)c(Br)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Umbelliferone SCHEMBL5320528 0.98 GRM2 (0.48) GRM2NPC1RAB9AMAOBMAOA
SCHEMBL4944565 0.83 GRM2 (0.61) GRM2MAOBMAOACA12CA1
SCHEMBL4941654 0.83 GRM2 (0.64) GRM2MAOBMAOACA12CA1
SCHEMBL4943903 0.80 GRM2 (0.69) GRM2
SCHEMBL18472943 0.74 GRM2 (0.55) GRM2
SCHEMBL4937704 0.73 GRM2 (0.63) GRM2
SCHEMBL18494153 0.72 GRM2 (0.58) GRM2
SCHEMBL6355681 0.69 GRM2 (0.67) GRM2
SCHEMBL4944017 0.69 NPC1 (0.60) NPC1RAB9AMAOBMAOAMEN1
SCHEMBL18472896 0.68 GRM2 (0.66) GRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 — — US claimed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 — — EP claimed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 — — WO claimed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 — — US disclosed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 — — US disclosed
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 — — US disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 GRM2 1/4885NPC1 2147/4885RAB9A 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.